[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone

C17H18BrN3O — CID 126946803

IUPAC[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCC(n2cc(Br)cn2)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H18BrN3O/c18-14-10-19-21(11-14)15-6-9-20(12-15)16(22)17(7-8-17)13-4-2-1-3-5-13/h1-5,10-11,15H,6-9,12H2
InChIKeyPEDWVTFSACITIJ-UHFFFAOYSA-N
MW360.25 g/mol
LogP3.15
Rot. Bonds3

About [3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone

[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 126946803) has the molecular formula C17H18BrN3O and a molecular weight of 360.25 g/mol. Its IUPAC name is [3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID126946803
Molecular FormulaC17H18BrN3O
Molecular Weight360.25 g/mol
Exact Mass359.06
IUPAC Name[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCC(n2cc(Br)cn2)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H18BrN3O/c18-14-10-19-21(11-14)15-6-9-20(12-15)16(22)17(7-8-17)13-4-2-1-3-5-13/h1-5,10-11,15H,6-9,12H2
InChIKeyPEDWVTFSACITIJ-UHFFFAOYSA-N
XLogP3.15
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid
CID 67027237
(1-phenylcyclopropyl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95761368
(1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996455
(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 63394917
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419
(4-phenyloxan-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149929
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201
[1-(3-bromophenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 56684688
[1-(3-bromophenyl)cyclopropyl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 52877464
(4-bromo-3-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 114683504
(4-amino-3-ethylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 81457070
[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71876645

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 126946803) is [3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone is O=C(N1CCC(n2cc(Br)cn2)C1)C1(c2ccccc2)CC1.
What is the InChIKey of [3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is PEDWVTFSACITIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O/c18-14-10-19-21(11-14)15-6-9-20(12-15)16(22)17(7-8-17)13-4-2-1-3-5-13/h1-5,10-11,15H,6-9,12H2.
What are the key properties of [3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 360.25 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 126946803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).